4-butoxy-6-chloranyl-1-oxidanylidene-2-propyl-isoquinoline-3-carboxylic acid

Systemtic Name: 4-butoxy-6-chloranyl-1-oxidanylidene-2-propyl-isoquinoline-3-carboxylic acid Openeye Name: 4-butoxy-6-chloro-1-oxo-2-propyl-isoquinoline-3-carboxylic acid CAS Name: 4-butoxy-6-chloro-1-oxo-2-propyl-3-isoquinolinecarboxylic acid IUPAC Name: 4-butoxy-6-chloro-1-oxo-2-propylisoquinoline-3-carboxylic acid Traditional Name: 4-butoxy-6-chloro-1-keto-2-propyl-isoquinoline-3-carboxylic acid Formula: C17H20ClNO4 MolecularWeight: 337.798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)CCC)C(=O)O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)Cl)CCC)C(=O)O

InChI

InChI=1S/C17H20ClNO4/c1-3-5-9-23-15-13-10-11(18)6-7-12(13)16(20)19(8-4-2)14(15)17(21)22/h6-7,10H,3-5,8-9H2,1-2H3,(H,21,22)